4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide

C20H14ClN3O3S — CID 46256992

IUPAC4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2nc(Cl)c3cc(C(=O)Nc4cccc([N+](=O)[O-])c4C)sc3c2c1
InChIInChI=1S/C20H14ClN3O3S/c1-10-6-7-15-12(8-10)18-13(19(21)22-15)9-17(28-18)20(25)23-14-4-3-5-16(11(14)2)24(26)27/h3-9H,1-2H3,(H,23,25)
InChIKeySCGKLTPHCBEZAK-UHFFFAOYSA-N
MW411.87 g/mol
LogP5.88
Rot. Bonds3

About 4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide

4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide (PubChem CID 46256992) has the molecular formula C20H14ClN3O3S and a molecular weight of 411.87 g/mol. Its IUPAC name is 4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide.

Molecular Properties

Compound Name4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide
PubChem CID46256992
Molecular FormulaC20H14ClN3O3S
Molecular Weight411.87 g/mol
Exact Mass411.04
IUPAC Name4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide
SMILESCc1ccc2nc(Cl)c3cc(C(=O)Nc4cccc([N+](=O)[O-])c4C)sc3c2c1
InChIInChI=1S/C20H14ClN3O3S/c1-10-6-7-15-12(8-10)18-13(19(21)22-15)9-17(28-18)20(25)23-14-4-3-5-16(11(14)2)24(26)27/h3-9H,1-2H3,(H,23,25)
InChIKeySCGKLTPHCBEZAK-UHFFFAOYSA-N
XLogP5.88
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.87
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(2-methyl-3-nitrophenyl)-1-phenylthieno[3,2-d]pyrazole-5-carboxamide
CID 9395800
4-chloro-N-[3-(3-fluorophenyl)-1,2-oxazol-5-yl]-8-methylthieno[3,2-c]quinoline-2-carboxamide
CID 46257044
3-chloro-N-(2-methyl-3-nitrophenyl)benzamide
CID 4111070
5-methyl-N-(2-methyl-3-nitrophenyl)-1,2-oxazole-3-carboxamide
CID 17255520
5-bromo-N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 1245199
N-(2-methyl-3-nitrophenyl)thiophene-2-carboxamide
CID 675560
4-ethyl-N-(2-methyl-3-nitrophenyl)-5-propylthiophene-2-carboxamide
CID 9270687
2-(diethylamino)-N-(2-methyl-3-nitrophenyl)thieno[2,3-d][1,3]thiazole-5-carboxamide
CID 52689269
N-(2-methyl-3-nitrophenyl)quinoxaline-2-carboxamide
CID 17420585
2-[(2-methyl-3-nitrophenyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 107811028
2-(1-aminoethyl)-N-(2-methyl-3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 66390801
2-chloro-N-(2-methyl-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4633766

Frequently Asked Questions

What is the IUPAC name of 4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide?
The IUPAC name of 4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide (CID 46256992) is 4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide.
What is the SMILES notation for 4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide?
The canonical SMILES for 4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide is Cc1ccc2nc(Cl)c3cc(C(=O)Nc4cccc([N+](=O)[O-])c4C)sc3c2c1.
What is the InChIKey of 4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide?
The InChIKey is SCGKLTPHCBEZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O3S/c1-10-6-7-15-12(8-10)18-13(19(21)22-15)9-17(28-18)20(25)23-14-4-3-5-16(11(14)2)24(26)27/h3-9H,1-2H3,(H,23,25).
What are the key properties of 4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide?
4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide has a molecular weight of 411.87 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-8-methyl-N-(2-methyl-3-nitrophenyl)thieno[3,2-c]quinoline-2-carboxamide is sourced from PubChem (CID 46256992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).